13-N,21-N-bis(6-tert-butyldibenzofuran-4-yl)-13-N,21-N-bis(2-methylphenyl)-4,30-dioxanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-bis(6-tert-butyldibenzofuran-4-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;7,24-diazadecacyclo[22.10.1.17,14.02,23.04,21.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(34),2,4,6(19),8,10,12,14(36),15,17,20,22,25,27,29,32-hexadecaene;13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(2-methylphenyl)-4,30-dioxanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(4-propan-2-ylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-diphenyl-13-N,21-N-bis(6-phenyldibenzofuran-4-yl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine

C404H267N15O20 — CID 158947047

About 13-N,21-N-bis(6-tert-butyldibenzofuran-4-yl)-13-N,21-N-bis(2-methylphenyl)-4,30-dioxanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-bis(6-tert-butyldibenzofuran-4-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;7,24-diazadecacyclo[22.10.1.17,14.02,23.04,21.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(34),2,4,6(19),8,10,12,14(36),15,17,20,22,25,27,29,32-hexadecaene;13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(2-methylphenyl)-4,30-dioxanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(4-propan-2-ylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-diphenyl-13-N,21-N-bis(6-phenyldibenzofuran-4-yl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine

13-N,21-N-bis(6-tert-butyldibenzofuran-4-yl)-13-N,21-N-bis(2-methylphenyl)-4,30-dioxanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-bis(6-tert-butyldibenzofuran-4-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;7,24-diazadecacyclo[22.10.1.17,14.02,23.04,21.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(34),2,4,6(19),8,10,12,14(36),15,17,20,22,25,27,29,32-hexadecaene;13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(2-methylphenyl)-4,30-dioxanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(4-propan-2-ylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-diphenyl-13-N,21-N-bis(6-phenyldibenzofuran-4-yl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine (PubChem CID 158947047) has the molecular formula C404H267N15O20 and a molecular weight of 5651.67 g/mol. Its IUPAC name is 13-N,21-N-bis(6-tert-butyldibenzofuran-4-yl)-13-N,21-N-bis(2-methylphenyl)-4,30-dioxanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-bis(6-tert-butyldibenzofuran-4-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;7,24-diazadecacyclo[22.10.1.17,14.02,23.04,21.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(34),2,4,6(19),8,10,12,14(36),15,17,20,22,25,27,29,32-hexadecaene;13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(2-methylphenyl)-4,30-dioxanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(4-propan-2-ylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-diphenyl-13-N,21-N-bis(6-phenyldibenzofuran-4-yl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine.

Molecular Properties

• Compound Name: 13-N,21-N-bis(6-tert-butyldibenzofuran-4-yl)-13-N,21-N-bis(2-methylphenyl)-4,30-dioxanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-bis(6-tert-butyldibenzofuran-4-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;7,24-diazadecacyclo[22.10.1.17,14.02,23.04,21.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(34),2,4,6(19),8,10,12,14(36),15,17,20,22,25,27,29,32-hexadecaene;13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(2-methylphenyl)-4,30-dioxanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(4-propan-2-ylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-diphenyl-13-N,21-N-bis(6-phenyldibenzofuran-4-yl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine
• PubChem CID: 158947047
• Molecular Formula: C404H267N15O20
• Molecular Weight: 5651.67 g/mol
• Exact Mass: 5647.03
• IUPAC Name: 13-N,21-N-bis(6-tert-butyldibenzofuran-4-yl)-13-N,21-N-bis(2-methylphenyl)-4,30-dioxanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-bis(6-tert-butyldibenzofuran-4-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;7,24-diazadecacyclo[22.10.1.17,14.02,23.04,21.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(34),2,4,6(19),8,10,12,14(36),15,17,20,22,25,27,29,32-hexadecaene;13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(2-methylphenyl)-4,30-dioxanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(4-propan-2-ylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-diphenyl-13-N,21-N-bis(6-phenyldibenzofuran-4-yl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine
• SMILES: C1=CC2c3ccccc3N3c4cc5cc6c7cccc8c9ccccc9n(c6cc5cc4C(=C1)C23)c87.CC(C)(C)c1cccc2c1oc1c(N(c3ccccc3)c3cc4c5ccccc5oc4c4c3c3cccc5c6c(N(c7ccccc7)c7cccc8c7oc7c(C(C)(C)C)cccc78)cc7c8ccccc8oc7c6n4c35)cccc12.CC(C)c1ccc(N(c2cccc3c2oc2ccccc23)c2cc3c4ccccc4oc3c3c2c2cccc4c5c(N(c6ccc(C(C)C)cc6)c6cccc7c6oc6ccccc67)cc6c7ccccc7oc6c5n3c24)cc1.Cc1ccccc1N(c1cc2c(oc3ccccc32)c2c1-c1cccc3c1C2c1c-3c(N(c2ccccc2C)c2cccc3c2oc2c(C(C)(C)C)cccc23)cc2c1oc1ccccc12)c1cccc2c1oc1c(C(C)(C)C)cccc12.Cc1ccccc1N(c1cc2c(oc3ccccc32)c2c1-c1cccc3c1C2c1c-3c(N(c2ccccc2C)c2cccc3c2oc2ccccc23)cc2c1oc1ccccc12)c1cccc2c1oc1ccccc12.c1ccc(-c2cccc3c2oc2c(N(c4ccccc4)c4cc5c6ccccc6oc5c5c4c4cccc6c7c(N(c8ccccc8)c8cccc9c8oc8c(-c%10ccccc%10)cccc89)cc8c9ccccc9oc8c7n5c46)cccc23)cc1
• InChI: InChI=1S/C78H45N3O4.C77H58N2O4.C74H53N3O4.C72H49N3O4.C69H42N2O4.C34H20N2/c1-5-22-46(23-6-1)50-32-17-34-54-56-36-20-40-62(75(56)84-73(50)54)79(48-26-9-3-10-27-48)64-44-60-52-30-13-15-42-66(52)82-77(60)71-68(64)58-38-19-39-59-69-65(45-61-53-31-14-16-43-67(53)83-78(61)72(69)81(71)70(58)59)80(49-28-11-4-12-29-49)63-41-21-37-57-55-35-18-33-51(74(55)85-76(57)63)47-24-7-2-8-25-47;1-42-22-9-13-34-56(42)78(58-36-20-28-48-46-26-18-32-54(76(3,4)5)70(46)82-72(48)58)60-40-52-44-24-11-15-38-62(44)80-74(52)68-65(60)50-30-17-31-51-64(50)67(68)69-66(51)61(41-53-45-25-12-16-39-63(45)81-75(53)69)79(57-35-14-10-23-43(57)2)59-37-21-29-49-47-27-19-33-55(77(6,7)8)71(47)83-73(49)59;1-73(2,3)54-34-18-28-46-48-30-20-36-56(69(48)80-67(46)54)75(42-22-9-7-10-23-42)58-40-52-44-26-13-15-38-60(44)78-71(52)65-62(58)50-32-17-33-51-63-59(41-53-45-27-14-16-39-61(45)79-72(53)66(63)77(65)64(50)51)76(43-24-11-8-12-25-43)57-37-21-31-49-47-29-19-35-55(74(4,5)6)68(47)81-70(49)57;1-40(2)42-30-34-44(35-31-42)73(56-24-14-20-50-46-16-5-9-26-60(46)76-69(50)56)58-38-54-48-18-7-11-28-62(48)78-71(54)67-64(58)52-22-13-23-53-65-59(39-55-49-19-8-12-29-63(49)79-72(55)68(65)75(67)66(52)53)74(45-36-32-43(33-37-45)41(3)4)57-25-15-21-51-47-17-6-10-27-61(47)77-70(51)57;1-38-18-3-9-28-50(38)70(52-30-16-24-44-40-20-5-11-32-56(40)72-66(44)52)54-36-48-42-22-7-13-34-58(42)74-68(48)64-61(54)46-26-15-27-47-60(46)63(64)65-62(47)55(37-49-43-23-8-14-35-59(43)75-69(49)65)71(51-29-10-4-19-39(51)2)53-31-17-25-45-41-21-6-12-33-57(41)73-67(45)53;1-3-13-29-21(7-1)23-9-5-11-25-27-15-20-18-32-28(16-19(20)17-31(27)35(29)33(23)25)26-12-6-10-24-22-8-2-4-14-30(22)36(32)34(24)26/h1-45H;9-41,67H,1-8H3;7-41H,1-6H3;5-41H,1-4H3;3-37,63H,1-2H3;1-18,23,33H
• InChIKey: JKYKLAACVCEXOG-UHFFFAOYSA-N
• XLogP: 117.42
• TPSA: 316.08 Ų
• H-Bond Acceptors: 35
• Rotatable Bonds: 34
• Heavy Atoms: 439
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5651.67
LogP ≤ 5	117.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 13-N,21-N-bis(6-tert-butyldibenzofuran-4-yl)-13-N,21-N-bis(2-methylphenyl)-4,30-dioxanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-bis(6-tert-butyldibenzofuran-4-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;7,24-diazadecacyclo[22.10.1.17,14.02,23.04,21.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(34),2,4,6(19),8,10,12,14(36),15,17,20,22,25,27,29,32-hexadecaene;13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(2-methylphenyl)-4,30-dioxanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(4-propan-2-ylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-diphenyl-13-N,21-N-bis(6-phenyldibenzofuran-4-yl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine?

The IUPAC name of 13-N,21-N-bis(6-tert-butyldibenzofuran-4-yl)-13-N,21-N-bis(2-methylphenyl)-4,30-dioxanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-bis(6-tert-butyldibenzofuran-4-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;7,24-diazadecacyclo[22.10.1.17,14.02,23.04,21.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(34),2,4,6(19),8,10,12,14(36),15,17,20,22,25,27,29,32-hexadecaene;13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(2-methylphenyl)-4,30-dioxanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(4-propan-2-ylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-diphenyl-13-N,21-N-bis(6-phenyldibenzofuran-4-yl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine (CID 158947047) is 13-N,21-N-bis(6-tert-butyldibenzofuran-4-yl)-13-N,21-N-bis(2-methylphenyl)-4,30-dioxanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-bis(6-tert-butyldibenzofuran-4-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;7,24-diazadecacyclo[22.10.1.17,14.02,23.04,21.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(34),2,4,6(19),8,10,12,14(36),15,17,20,22,25,27,29,32-hexadecaene;13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(2-methylphenyl)-4,30-dioxanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(4-propan-2-ylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-diphenyl-13-N,21-N-bis(6-phenyldibenzofuran-4-yl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine.

What is the SMILES notation for 13-N,21-N-bis(6-tert-butyldibenzofuran-4-yl)-13-N,21-N-bis(2-methylphenyl)-4,30-dioxanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-bis(6-tert-butyldibenzofuran-4-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;7,24-diazadecacyclo[22.10.1.17,14.02,23.04,21.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(34),2,4,6(19),8,10,12,14(36),15,17,20,22,25,27,29,32-hexadecaene;13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(2-methylphenyl)-4,30-dioxanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(4-propan-2-ylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-diphenyl-13-N,21-N-bis(6-phenyldibenzofuran-4-yl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine?

The canonical SMILES for 13-N,21-N-bis(6-tert-butyldibenzofuran-4-yl)-13-N,21-N-bis(2-methylphenyl)-4,30-dioxanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-bis(6-tert-butyldibenzofuran-4-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;7,24-diazadecacyclo[22.10.1.17,14.02,23.04,21.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(34),2,4,6(19),8,10,12,14(36),15,17,20,22,25,27,29,32-hexadecaene;13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(2-methylphenyl)-4,30-dioxanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(4-propan-2-ylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-diphenyl-13-N,21-N-bis(6-phenyldibenzofuran-4-yl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine is C1=CC2c3ccccc3N3c4cc5cc6c7cccc8c9ccccc9n(c6cc5cc4C(=C1)C23)c87.CC(C)(C)c1cccc2c1oc1c(N(c3ccccc3)c3cc4c5ccccc5oc4c4c3c3cccc5c6c(N(c7ccccc7)c7cccc8c7oc7c(C(C)(C)C)cccc78)cc7c8ccccc8oc7c6n4c35)cccc12.CC(C)c1ccc(N(c2cccc3c2oc2ccccc23)c2cc3c4ccccc4oc3c3c2c2cccc4c5c(N(c6ccc(C(C)C)cc6)c6cccc7c6oc6ccccc67)cc6c7ccccc7oc6c5n3c24)cc1.Cc1ccccc1N(c1cc2c(oc3ccccc32)c2c1-c1cccc3c1C2c1c-3c(N(c2ccccc2C)c2cccc3c2oc2c(C(C)(C)C)cccc23)cc2c1oc1ccccc12)c1cccc2c1oc1c(C(C)(C)C)cccc12.Cc1ccccc1N(c1cc2c(oc3ccccc32)c2c1-c1cccc3c1C2c1c-3c(N(c2ccccc2C)c2cccc3c2oc2ccccc23)cc2c1oc1ccccc12)c1cccc2c1oc1ccccc12.c1ccc(-c2cccc3c2oc2c(N(c4ccccc4)c4cc5c6ccccc6oc5c5c4c4cccc6c7c(N(c8ccccc8)c8cccc9c8oc8c(-c%10ccccc%10)cccc89)cc8c9ccccc9oc8c7n5c46)cccc23)cc1.

What is the InChIKey of 13-N,21-N-bis(6-tert-butyldibenzofuran-4-yl)-13-N,21-N-bis(2-methylphenyl)-4,30-dioxanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-bis(6-tert-butyldibenzofuran-4-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;7,24-diazadecacyclo[22.10.1.17,14.02,23.04,21.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(34),2,4,6(19),8,10,12,14(36),15,17,20,22,25,27,29,32-hexadecaene;13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(2-methylphenyl)-4,30-dioxanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(4-propan-2-ylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-diphenyl-13-N,21-N-bis(6-phenyldibenzofuran-4-yl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine?

The InChIKey is JKYKLAACVCEXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H45N3O4.C77H58N2O4.C74H53N3O4.C72H49N3O4.C69H42N2O4.C34H20N2/c1-5-22-46(23-6-1)50-32-17-34-54-56-36-20-40-62(75(56)84-73(50)54)79(48-26-9-3-10-27-48)64-44-60-52-30-13-15-42-66(52)82-77(60)71-68(64)58-38-19-39-59-69-65(45-61-53-31-14-16-43-67(53)83-78(61)72(69)81(71)70(58)59)80(49-28-11-4-12-29-49)63-41-21-37-57-55-35-18-33-51(74(55)85-76(57)63)47-24-7-2-8-25-47;1-42-22-9-13-34-56(42)78(58-36-20-28-48-46-26-18-32-54(76(3,4)5)70(46)82-72(48)58)60-40-52-44-24-11-15-38-62(44)80-74(52)68-65(60)50-30-17-31-51-64(50)67(68)69-66(51)61(41-53-45-25-12-16-39-63(45)81-75(53)69)79(57-35-14-10-23-43(57)2)59-37-21-29-49-47-27-19-33-55(77(6,7)8)71(47)83-73(49)59;1-73(2,3)54-34-18-28-46-48-30-20-36-56(69(48)80-67(46)54)75(42-22-9-7-10-23-42)58-40-52-44-26-13-15-38-60(44)78-71(52)65-62(58)50-32-17-33-51-63-59(41-53-45-27-14-16-39-61(45)79-72(53)66(63)77(65)64(50)51)76(43-24-11-8-12-25-43)57-37-21-31-49-47-29-19-35-55(74(4,5)6)68(47)81-70(49)57;1-40(2)42-30-34-44(35-31-42)73(56-24-14-20-50-46-16-5-9-26-60(46)76-69(50)56)58-38-54-48-18-7-11-28-62(48)78-71(54)67-64(58)52-22-13-23-53-65-59(39-55-49-19-8-12-29-63(49)79-72(55)68(65)75(67)66(52)53)74(45-36-32-43(33-37-45)41(3)4)57-25-15-21-51-47-17-6-10-27-61(47)77-70(51)57;1-38-18-3-9-28-50(38)70(52-30-16-24-44-40-20-5-11-32-56(40)72-66(44)52)54-36-48-42-22-7-13-34-58(42)74-68(48)64-61(54)46-26-15-27-47-60(46)63(64)65-62(47)55(37-49-43-23-8-14-35-59(43)75-69(49)65)71(51-29-10-4-19-39(51)2)53-31-17-25-45-41-21-6-12-33-57(41)73-67(45)53;1-3-13-29-21(7-1)23-9-5-11-25-27-15-20-18-32-28(16-19(20)17-31(27)35(29)33(23)25)26-12-6-10-24-22-8-2-4-14-30(22)36(32)34(24)26/h1-45H;9-41,67H,1-8H3;7-41H,1-6H3;5-41H,1-4H3;3-37,63H,1-2H3;1-18,23,33H.

What are the key properties of 13-N,21-N-bis(6-tert-butyldibenzofuran-4-yl)-13-N,21-N-bis(2-methylphenyl)-4,30-dioxanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-bis(6-tert-butyldibenzofuran-4-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;7,24-diazadecacyclo[22.10.1.17,14.02,23.04,21.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(34),2,4,6(19),8,10,12,14(36),15,17,20,22,25,27,29,32-hexadecaene;13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(2-methylphenyl)-4,30-dioxanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(4-propan-2-ylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-diphenyl-13-N,21-N-bis(6-phenyldibenzofuran-4-yl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine?

13-N,21-N-bis(6-tert-butyldibenzofuran-4-yl)-13-N,21-N-bis(2-methylphenyl)-4,30-dioxanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-bis(6-tert-butyldibenzofuran-4-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;7,24-diazadecacyclo[22.10.1.17,14.02,23.04,21.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(34),2,4,6(19),8,10,12,14(36),15,17,20,22,25,27,29,32-hexadecaene;13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(2-methylphenyl)-4,30-dioxanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(4-propan-2-ylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-diphenyl-13-N,21-N-bis(6-phenyldibenzofuran-4-yl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine has a molecular weight of 5651.67 g/mol, XLogP of 117.42, 34 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 13-N,21-N-bis(6-tert-butyldibenzofuran-4-yl)-13-N,21-N-bis(2-methylphenyl)-4,30-dioxanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-bis(6-tert-butyldibenzofuran-4-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;7,24-diazadecacyclo[22.10.1.17,14.02,23.04,21.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(34),2,4,6(19),8,10,12,14(36),15,17,20,22,25,27,29,32-hexadecaene;13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(2-methylphenyl)-4,30-dioxanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(4-propan-2-ylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine;13-N,21-N-diphenyl-13-N,21-N-bis(6-phenyldibenzofuran-4-yl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine is sourced from PubChem (CID 158947047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).